5-piperazin-1-ylsulfonylquinoline

C13H15N3O2S — CID 6603882

IUPAC5-piperazin-1-ylsulfonylquinoline
SMILESO=S(=O)(c1cccc2ncccc12)N1CCNCC1
InChIInChI=1S/C13H15N3O2S/c17-19(18,16-9-7-14-8-10-16)13-5-1-4-12-11(13)3-2-6-15-12/h1-6,14H,7-10H2
InChIKeySJFPWWYCPGONOM-UHFFFAOYSA-N
MW277.35 g/mol
LogP0.83
Rot. Bonds2

About 5-piperazin-1-ylsulfonylquinoline

5-piperazin-1-ylsulfonylquinoline (PubChem CID 6603882) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is 5-piperazin-1-ylsulfonylquinoline.

Molecular Properties

Compound Name5-piperazin-1-ylsulfonylquinoline
PubChem CID6603882
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Name5-piperazin-1-ylsulfonylquinoline
SMILESO=S(=O)(c1cccc2ncccc12)N1CCNCC1
InChIInChI=1S/C13H15N3O2S/c17-19(18,16-9-7-14-8-10-16)13-5-1-4-12-11(13)3-2-6-15-12/h1-6,14H,7-10H2
InChIKeySJFPWWYCPGONOM-UHFFFAOYSA-N
XLogP0.83
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-piperazin-1-ylsulfonylquinoline?
The IUPAC name of 5-piperazin-1-ylsulfonylquinoline (CID 6603882) is 5-piperazin-1-ylsulfonylquinoline.
What is the SMILES notation for 5-piperazin-1-ylsulfonylquinoline?
The canonical SMILES for 5-piperazin-1-ylsulfonylquinoline is O=S(=O)(c1cccc2ncccc12)N1CCNCC1.
What is the InChIKey of 5-piperazin-1-ylsulfonylquinoline?
The InChIKey is SJFPWWYCPGONOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c17-19(18,16-9-7-14-8-10-16)13-5-1-4-12-11(13)3-2-6-15-12/h1-6,14H,7-10H2.
What are the key properties of 5-piperazin-1-ylsulfonylquinoline?
5-piperazin-1-ylsulfonylquinoline has a molecular weight of 277.35 g/mol, XLogP of 0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-piperazin-1-ylsulfonylquinoline is sourced from PubChem (CID 6603882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).